8-Hydroxy-7-tridecylquinoline-5,6-dione
Basic information
- CAS
35100-82-4- Standard SMILES
CCCCCCCCCCCCCC1=C(O)c2ncccc2C(=O)C1=O- InChIKey
KULWDPVWNYUOQF-UHFFFAOYSA-N- Molecular formula
- C22H31NO3
- Average molar mass
- 357.5 g/mol
- Monoisotopic mass
- 357.23039385
Names & identifiers
- Preferred name
- 8-Hydroxy-7-tridecylquinoline-5,6-dione
- IUPAC
- 8-hydroxy-7-tridecylquinoline-5,6-dione
Names & synonyms
NSC20070435100-82-48-hydroxy-7-tridecylquinoline-5,6-dioneDTXSID70307977NSC-2007046-Hydroxy-7-tridecylquinoline-5,8-dione5,8-Quinolinedione,6-hydroxy-7-tridecyl-6-hydroxy-7-tridecyl-quinoline-5,8-dioneDS-005625
Database identifiers
- CAS
35100-82-4- PubChem CID
- 304633
- DTXSID
DTXSID70307977
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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